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    Three-dimensional configuration of translational boundaries in antiferroelectric PbZrO3 revealed by electron ptychography

    Yi Zheng1,2,3,*, Yunpeng Ma1,3,*, Jizhe Cui1,2,3,*, Wenfeng Yang1,2,3,*, Kang Sun1,2,3, Haozhi Sha1,2,3, Qian Li1,3,†, and Rong Yu1,2,3,‡

    • *These authors contributed equally to this work.
    • †Contact author: qianli_mse@tsinghua.edu.cn
    • ‡Contact author: ryu@tsinghua.edu.cn

    Phys. Rev. B 113, 014103 – Published 5 January, 2026

    DOI: https://doi.org/10.1103/bvl3-s57p

    Abstract

    Antiferroelectric materials, characterized by their unique antiparallel spontaneous polarization patterns, have garnered significant interest as promising candidates for next-generation energy storage applications. Among these materials, PbZrO3 (PZO) has been extensively studied as a model system. A variety of domain wall configurations have been proposed. However, atomic-scale studies of domain walls have been limited in the image plane. Here, we show that the three-dimensional (3D) configuration of the translational boundaries in PZO can be revealed using multislice electron ptychography with adaptive propagator, which allows for depth-resolved imaging of domain wall structures. The 3D structure of domain walls at the atomic scale is likely intricately linked to local variations in chemical composition, polarization, and even conductivity, presenting novel and promising directions for future studies.

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